3-amino-3-[4-(furan-2-yl)phenyl]propanamide

C13H14N2O2 — CID 170876318

IUPAC3-amino-3-[4-(furan-2-yl)phenyl]propanamide
SMILESNC(=O)CC(N)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C13H14N2O2/c14-11(8-13(15)16)9-3-5-10(6-4-9)12-2-1-7-17-12/h1-7,11H,8,14H2,(H2,15,16)
InChIKeyJLJLANDBSHILPX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-3-[4-(furan-2-yl)phenyl]propanamide

3-amino-3-[4-(furan-2-yl)phenyl]propanamide (PubChem CID 170876318) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-3-[4-(furan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[4-(furan-2-yl)phenyl]propanamide
PubChem CID170876318
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-amino-3-[4-(furan-2-yl)phenyl]propanamide
SMILESNC(=O)CC(N)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C13H14N2O2/c14-11(8-13(15)16)9-3-5-10(6-4-9)12-2-1-7-17-12/h1-7,11H,8,14H2,(H2,15,16)
InChIKeyJLJLANDBSHILPX-UHFFFAOYSA-N
XLogP1.82
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-2-furanmethanamine
CID 11993871
3-(Furan-2-yl)-3-(p-tolyl)propan-1-amine
CID 2771861
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
3-Furan-2-yl-3-p-tolyl-propionimidic acid
CID 2928875
N-(1-(furan-2-yl)propan-2-yl)-4-(trifluoromethyl)benzamide
CID 4253008
N-(sec-butyl)-3-(2-furyl)-2-phenylacrylamide
CID 5350394
1-(4-Methoxyphenyl)-3-(5-methyl-2-furyl)propylamine
CID 6602911
7-Amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 122183565
3-(Furan-2-yl)-3-phenylpropanimidic acid
CID 2940074
(E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide
CID 2282851
3-(2-Furyl)-1-(4-methoxyphenyl)propylamine
CID 6603530
[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
CID 44572305

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(furan-2-yl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[4-(furan-2-yl)phenyl]propanamide (CID 170876318) is 3-amino-3-[4-(furan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[4-(furan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[4-(furan-2-yl)phenyl]propanamide is NC(=O)CC(N)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 3-amino-3-[4-(furan-2-yl)phenyl]propanamide?
The InChIKey is JLJLANDBSHILPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-11(8-13(15)16)9-3-5-10(6-4-9)12-2-1-7-17-12/h1-7,11H,8,14H2,(H2,15,16).
What are the key properties of 3-amino-3-[4-(furan-2-yl)phenyl]propanamide?
3-amino-3-[4-(furan-2-yl)phenyl]propanamide has a molecular weight of 230.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(furan-2-yl)phenyl]propanamide is sourced from PubChem (CID 170876318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).